2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine

C11H19N5 — CID 72905675

IUPAC2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)[C@H]1CN(c2nccc(N)n2)C[C@@H]1N
InChIInChI=1S/C11H19N5/c1-7(2)8-5-16(6-9(8)12)11-14-4-3-10(13)15-11/h3-4,7-9H,5-6,12H2,1-2H3,(H2,13,14,15)/t8-,9+/m1/s1
InChIKeyCWTVXCUXQHUIOW-BDAKNGLRSA-N
MW221.31 g/mol
LogP0.48
Rot. Bonds2

About 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine

2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 72905675) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID72905675
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine
SMILESCC(C)[C@H]1CN(c2nccc(N)n2)C[C@@H]1N
InChIInChI=1S/C11H19N5/c1-7(2)8-5-16(6-9(8)12)11-14-4-3-10(13)15-11/h3-4,7-9H,5-6,12H2,1-2H3,(H2,13,14,15)/t8-,9+/m1/s1
InChIKeyCWTVXCUXQHUIOW-BDAKNGLRSA-N
XLogP0.48
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10756932
CID 10756932
CID 57394626
CID 57394626
CID 57394627
CID 57394627
CID 57395620
CID 57395620
CID 57403351
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CID 58227085
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CID 58227127
CID 58227127

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine (CID 72905675) is 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine is CC(C)[C@H]1CN(c2nccc(N)n2)C[C@@H]1N.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is CWTVXCUXQHUIOW-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19N5/c1-7(2)8-5-16(6-9(8)12)11-14-4-3-10(13)15-11/h3-4,7-9H,5-6,12H2,1-2H3,(H2,13,14,15)/t8-,9+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine?
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 221.31 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72905675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).